(4-methylsulfanylphenyl) 2-[(5-chloranylthiophen-2-yl)sulfonyl-methyl-amino]ethanoate

Systemtic Name: (4-methylsulfanylphenyl) 2-[(5-chloranylthiophen-2-yl)sulfonyl-methyl-amino]ethanoate Openeye Name: (4-methylsulfanylphenyl) 2-[(5-chloro-2-thienyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(5-chloro-2-thiophenyl)sulfonyl-methylamino]acetic acid [4-(methylthio)phenyl] ester IUPAC Name: (4-methylsulfanylphenyl) 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetate Traditional Name: 2-[(5-chloro-2-thienyl)sulfonyl-methyl-amino]acetic acid [4-(methylthio)phenyl] ester Formula: C14H14ClNO4S3 MolecularWeight: 391.91326

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)OC1=CC=C(C=C1)SC)S(=O)(=O)C2=CC=C(S2)Cl

Isomeric SMILES

CN(CC(=O)OC1=CC=C(C=C1)SC)S(=O)(=O)C2=CC=C(S2)Cl

InChI

InChI=1S/C14H14ClNO4S3/c1-16(23(18,19)14-8-7-12(15)22-14)9-13(17)20-10-3-5-11(21-2)6-4-10/h3-8H,9H2,1-2H3